SCHEMBL8966397

SCHEMBL8966397

O=C(O)Cc1scnc1/C=C/c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.43
PAM P19021 2/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
P2RX3 P56373 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9076256 0.84 ALDH1A1 (0.41) PPARAALDH1A1KDM4EKMT2AHPGD
SCHEMBL9076258 0.84 ALDH1A1 (0.41) PPARAALDH1A1KDM4EKMT2AHPGD
SCHEMBL8965614 0.75 PTGDR2 (0.42) PAMALDH1A1KDM4EKMT2AMEN1
SCHEMBL8967115 0.75 PTGDR2 (0.47) PAMALDH1A1KDM4EKMT2AMEN1
SCHEMBL8967121 0.75 PTGDR2 (0.47) PAMALDH1A1KDM4EKMT2AMEN1
SCHEMBL9075986 0.71 KDM4E (0.38) PAMALDH1A1KDM4EKMT2AMEN1
SCHEMBL27558052 0.69 KDM4E (0.53) PAMALDH1A1KDM4EKMT2AMEN1
SCHEMBL9690951 0.69 ALOX15 (0.44) RAB9ASMN1; SMN2MAPTPOLBPTGDR2
SCHEMBL6312946 0.69 AKR1B1 (0.64) PPARAPAMALDH1A1SMN1; SMN2HDAC1
SCHEMBL6313137 0.69 AKR1B1 (0.64) PPARAPAMALDH1A1SMN1; SMN2HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509857-B1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1996-02-28 EP disclosed
EP-0509857-A1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1992-10-21 EP disclosed